4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline

C26H37NO — CID 67935322

IUPAC4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
SMILESCCCCCN(CCCCC)c1ccc(C=Cc2ccc(OCC)cc2)cc1
InChIInChI=1S/C26H37NO/c1-4-7-9-21-27(22-10-8-5-2)25-17-13-23(14-18-25)11-12-24-15-19-26(20-16-24)28-6-3/h11-20H,4-10,21-22H2,1-3H3
InChIKeyYBMMWKXEQUDZOF-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.44
Rot. Bonds13

About 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline

4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline (PubChem CID 67935322) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
PubChem CID67935322
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
SMILESCCCCCN(CCCCC)c1ccc(C=Cc2ccc(OCC)cc2)cc1
InChIInChI=1S/C26H37NO/c1-4-7-9-21-27(22-10-8-5-2)25-17-13-23(14-18-25)11-12-24-15-19-26(20-16-24)28-6-3/h11-20H,4-10,21-22H2,1-3H3
InChIKeyYBMMWKXEQUDZOF-UHFFFAOYSA-N
XLogP7.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
4-[(E)-2-[4-[(E)-2-[4,6-bis[(E)-2-[4-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]ethenyl]-N,N-dihexylaniline
CID 11586243
4-[2-[4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]-N,N-dioctadecylaniline
CID 173386117
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
N,N-didodecyl-4-[(E)-2-[4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]aniline
CID 173386094
N,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 6439243
N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 19067595
N,N-dioctyl-4-[(E)-2-[4-[2-[2,4,5-tris[2-[4-[(E)-2-[4-(dioctylamino)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]aniline
CID 102324505
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-[(1E,3E)-4-(4-butoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
CID 59296825

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline?
The IUPAC name of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline (CID 67935322) is 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline is CCCCCN(CCCCC)c1ccc(C=Cc2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline?
The InChIKey is YBMMWKXEQUDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-4-7-9-21-27(22-10-8-5-2)25-17-13-23(14-18-25)11-12-24-15-19-26(20-16-24)28-6-3/h11-20H,4-10,21-22H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline?
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline has a molecular weight of 379.59 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline is sourced from PubChem (CID 67935322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).